CID 181450

5-chloropyrazine-2-carboxamide

Structural Information

Molecular Formula
C5H4ClN3O
SMILES
C1=C(N=CC(=N1)Cl)C(=O)N
InChI
InChI=1S/C5H4ClN3O/c6-4-2-8-3(1-9-4)5(7)10/h1-2H,(H2,7,10)
InChIKey
GFEFMHWOSWUJSO-UHFFFAOYSA-N
Compound name
5-chloropyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

120
Patents

157.00429 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.01157 126.7
[M+Na]+ 179.99351 136.6
[M-H]- 155.99701 127.6
[M+NH4]+ 175.03811 145.3
[M+K]+ 195.96745 133.5
[M+H-H2O]+ 140.00155 120.4
[M+HCOO]- 202.00249 145.2
[M+CH3COO]- 216.01814 175.7
[M+Na-2H]- 177.97896 134.0
[M]+ 157.00374 126.7
[M]- 157.00484 126.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe